SCHEMBL6985103

SCHEMBL6985103

CN(C)CCCCN(c1ccc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2C)S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.66
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6979801 0.91 F2 (0.62) F2
SCHEMBL7670676 0.90 F2 (0.69) F2MEN1RECQLKMT2A
SCHEMBL7664576 0.90 F2 (0.61) F2
SCHEMBL6983757 0.89 F2 (0.63) F2
Hydrochloric Acid SCHEMBL6986105 0.88 F2 (0.62) F2
Hydrochloric Acid SCHEMBL6977321 0.88 F2 (0.67) F2MEN1RECQLKMT2A
SCHEMBL6635670 0.88 F2 (0.74) F2MEN1RECQLKMT2A
SCHEMBL6987739 0.87 F2 (0.62) F2
SCHEMBL6974717 0.87 F2 (0.62) F2
Hydrochloric Acid SCHEMBL8140045 0.87 F2 (0.78) F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed